CID 4178002

5-bromo-2-methoxy-4-methylpyridine

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=NC=C1Br)OC
InChI
InChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
InChIKey
HTBPXLJKMNBQMS-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

200.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 130.6
[M+Na]+ 223.968148 143.8
[M-H]- 199.971654 136.3
[M+NH4]+ 219.012753 152.7
[M+K]+ 239.942088 133.8
[M+H-H2O]+ 183.976190 130.8
[M+HCOO]- 245.977131 152.3
[M+CH3COO]- 259.992781 182.8
[M+Na-2H]- 221.953596 139.7
[M]+ 200.97838142 151.0
[M]- 200.97947858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe